3-[(3-azanyl-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-azanyl-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3-amino-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 3-[(3-amino-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 3-[(3-amino-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3-amino-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC(=N2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC(=N2)N)C(=O)O

InChI

InChI=1S/C10H10N4O2/c11-10-12-6-14(13-10)5-7-2-1-3-8(4-7)9(15)16/h1-4,6H,5H2,(H2,11,13)(H,15,16)